no pInt + same indentation everywhere
This commit is contained in:
Martin Diehl
parent
818338ca93
commit
fdc8a848a5
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@ -1,4 +1,5 @@
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!--------------------------------------------------------------------------------------------------
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Shaokang Zhang, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Spectral solver for nonlocal damage
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@ -6,43 +7,42 @@
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module grid_damage_spectral
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#include <petsc/finclude/petscsnes.h>
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#include <petsc/finclude/petscdmda.h>
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use PETScdmda
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use PETScsnes
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use prec, only: &
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pReal
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use spectral_utilities, only: &
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tSolutionState, &
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tSolutionParams
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implicit none
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private
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use PETScdmda
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use PETScsnes
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use prec, only: &
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pReal
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use spectral_utilities, only: &
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tSolutionState, &
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tSolutionParams
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implicit none
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private
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!--------------------------------------------------------------------------------------------------
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! derived types
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type(tSolutionParams), private :: params
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type(tSolutionParams), private :: params
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!--------------------------------------------------------------------------------------------------
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! PETSc data
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SNES, private :: damage_snes
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Vec, private :: solution_vec
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PetscInt, private :: xstart, xend, ystart, yend, zstart, zend
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real(pReal), private, dimension(:,:,:), allocatable :: &
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damage_current, & !< field of current damage
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damage_lastInc, & !< field of previous damage
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damage_stagInc !< field of staggered damage
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SNES, private :: damage_snes
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Vec, private :: solution_vec
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PetscInt, private :: xstart, xend, ystart, yend, zstart, zend
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real(pReal), private, dimension(:,:,:), allocatable :: &
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damage_current, & !< field of current damage
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damage_lastInc, & !< field of previous damage
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damage_stagInc !< field of staggered damage
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!--------------------------------------------------------------------------------------------------
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! reference diffusion tensor, mobility etc.
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integer, private :: totalIter = 0 !< total iteration in current increment
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real(pReal), dimension(3,3), private :: D_ref
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real(pReal), private :: mobility_ref
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public :: &
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grid_damage_spectral_init, &
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grid_damage_spectral_solution, &
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grid_damage_spectral_forward
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private :: &
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formResidual
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integer, private :: totalIter = 0 !< total iteration in current increment
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real(pReal), dimension(3,3), private :: D_ref
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real(pReal), private :: mobility_ref
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public :: &
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grid_damage_spectral_init, &
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grid_damage_spectral_solution, &
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grid_damage_spectral_forward
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private :: &
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formResidual
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contains
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@ -51,8 +51,6 @@ contains
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! ToDo: Restart not implemented
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!--------------------------------------------------------------------------------------------------
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subroutine grid_damage_spectral_init
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use IO, only: &
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IO_intOut
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use spectral_utilities, only: &
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wgt
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use mesh, only: &
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@ -94,22 +92,21 @@ subroutine grid_damage_spectral_init
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localK(worldrank+1) = grid3
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call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
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call DMDACreate3D(PETSC_COMM_WORLD, &
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DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & !< cut off stencil at boundary
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DMDA_STENCIL_BOX, & !< Moore (26) neighborhood around central point
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grid(1),grid(2),grid(3), & !< global grid
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DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
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DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
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grid(1),grid(2),grid(3), & ! global grid
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1, 1, worldsize, &
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1, 0, & !< #dof (damage phase field), ghost boundary width (domain overlap)
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[grid(1)],[grid(2)],localK, & !< local grid
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damage_grid,ierr) !< handle, error
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1, 0, & ! #dof (damage phase field), ghost boundary width (domain overlap)
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[grid(1)],[grid(2)],localK, & ! local grid
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damage_grid,ierr) ! handle, error
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CHKERRQ(ierr)
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call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) !< connect snes to da
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call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) ! connect snes to da
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call DMsetFromOptions(damage_grid,ierr); CHKERRQ(ierr)
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call DMsetUp(damage_grid,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(damage_grid,solution_vec,ierr); CHKERRQ(ierr) !< global solution vector (grid x 1, i.e. every def grad tensor)
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call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,formResidual,&
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PETSC_NULL_SNES,ierr) !< residual vector of same shape as solution vector
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call DMCreateGlobalVector(damage_grid,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
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call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
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CHKERRQ(ierr)
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call SNESSetFromOptions(damage_snes,ierr); CHKERRQ(ierr) !< pull it all together with additional CLI arguments
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call SNESSetFromOptions(damage_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
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call SNESGetType(damage_snes,snes_type,ierr); CHKERRQ(ierr)
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if (trim(snes_type) == 'vinewtonrsls' .or. &
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trim(snes_type) == 'vinewtonssls') then
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@ -117,7 +114,7 @@ subroutine grid_damage_spectral_init
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call DMGetGlobalVector(damage_grid,uBound,ierr); CHKERRQ(ierr)
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call VecSet(lBound,0.0_pReal,ierr); CHKERRQ(ierr)
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call VecSet(uBound,1.0_pReal,ierr); CHKERRQ(ierr)
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call SNESVISetVariableBounds(damage_snes,lBound,uBound,ierr) !< variable bounds for variational inequalities like contact mechanics, damage etc.
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call SNESVISetVariableBounds(damage_snes,lBound,uBound,ierr) ! variable bounds for variational inequalities like contact mechanics, damage etc.
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call DMRestoreGlobalVector(damage_grid,lBound,ierr); CHKERRQ(ierr)
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call DMRestoreGlobalVector(damage_grid,uBound,ierr); CHKERRQ(ierr)
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endif
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@ -129,10 +126,10 @@ subroutine grid_damage_spectral_init
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xend = xstart + xend - 1
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yend = ystart + yend - 1
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zend = zstart + zend - 1
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call VecSet(solution_vec,1.0_pReal,ierr); CHKERRQ(ierr)
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allocate(damage_current(grid(1),grid(2),grid3), source=1.0_pReal)
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allocate(damage_lastInc(grid(1),grid(2),grid3), source=1.0_pReal)
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allocate(damage_stagInc(grid(1),grid(2),grid3), source=1.0_pReal)
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call VecSet(solution_vec,1.0_pReal,ierr); CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! damage reference diffusion update
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@ -150,7 +147,8 @@ subroutine grid_damage_spectral_init
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call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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end subroutine grid_damage_spectral_init
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!--------------------------------------------------------------------------------------------------
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!> @brief solution for the spectral damage scheme with internal iterations
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!--------------------------------------------------------------------------------------------------
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@ -170,16 +168,15 @@ function grid_damage_spectral_solution(timeinc,timeinc_old,loadCaseTime) result(
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timeinc, & !< increment in time for current solution
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timeinc_old, & !< increment in time of last increment
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loadCaseTime !< remaining time of current load case
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integer :: i, j, k, cell
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type(tSolutionState) :: solution
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PetscInt ::position
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PetscReal :: minDamage, maxDamage, stagNorm, solnNorm
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PetscReal :: minDamage, maxDamage, stagNorm, solnNorm
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PetscErrorCode :: ierr
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type(tSolutionState) :: &
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solution
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SNESConvergedReason :: reason
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solution%converged =.false.
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solution%converged =.false.
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!--------------------------------------------------------------------------------------------------
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! set module wide availabe data
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@ -201,7 +198,7 @@ function grid_damage_spectral_solution(timeinc,timeinc_old,loadCaseTime) result(
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call MPI_Allreduce(MPI_IN_PLACE,stagNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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call MPI_Allreduce(MPI_IN_PLACE,solnNorm,1,MPI_DOUBLE,MPI_MAX,PETSC_COMM_WORLD,ierr)
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damage_stagInc = damage_current
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solution%stagConverged = stagNorm < min(err_damage_tolAbs,err_damage_tolRel*solnNorm)
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solution%stagConverged = stagNorm < min(err_damage_tolAbs, err_damage_tolRel*solnNorm)
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!--------------------------------------------------------------------------------------------------
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! updating damage state
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@ -214,8 +211,8 @@ function grid_damage_spectral_solution(timeinc,timeinc_old,loadCaseTime) result(
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call VecMin(solution_vec,position,minDamage,ierr); CHKERRQ(ierr)
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call VecMax(solution_vec,position,maxDamage,ierr); CHKERRQ(ierr)
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if (solution%converged) &
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write(6,'(/,a)') ' ... nonlocal damage converged .....................................'
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write(6,'(/,a,f8.6,2x,f8.6,2x,f8.6,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
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write(6,'(/,a)') ' ... nonlocal damage converged .....................................'
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write(6,'(/,a,f8.6,2x,f8.6,2x,f8.6,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
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minDamage, maxDamage, stagNorm
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write(6,'(/,a)') ' ==========================================================================='
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flush(6)
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@ -226,55 +223,55 @@ end function grid_damage_spectral_solution
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!--------------------------------------------------------------------------------------------------
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!> @brief spectral damage forwarding routine
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!--------------------------------------------------------------------------------------------------
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subroutine grid_damage_spectral_forward()
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use mesh, only: &
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grid, &
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grid3
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use spectral_utilities, only: &
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cutBack, &
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wgt
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use damage_nonlocal, only: &
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damage_nonlocal_putNonLocalDamage, &
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damage_nonlocal_getDiffusion33, &
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damage_nonlocal_getMobility
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implicit none
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integer :: i, j, k, cell
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DM :: dm_local
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PetscScalar, dimension(:,:,:), pointer :: x_scal
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PetscErrorCode :: ierr
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subroutine grid_damage_spectral_forward
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use mesh, only: &
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grid, &
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grid3
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use spectral_utilities, only: &
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cutBack, &
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wgt
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use damage_nonlocal, only: &
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damage_nonlocal_putNonLocalDamage, &
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damage_nonlocal_getDiffusion33, &
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damage_nonlocal_getMobility
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implicit none
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integer :: i, j, k, cell
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DM :: dm_local
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PetscScalar, dimension(:,:,:), pointer :: x_scal
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PetscErrorCode :: ierr
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if (cutBack) then
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damage_current = damage_lastInc
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damage_stagInc = damage_lastInc
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if (cutBack) then
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damage_current = damage_lastInc
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damage_stagInc = damage_lastInc
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!--------------------------------------------------------------------------------------------------
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! reverting damage field state
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cell = 0
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call SNESGetDM(damage_snes,dm_local,ierr); CHKERRQ(ierr)
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call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
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x_scal(xstart:xend,ystart:yend,zstart:zend) = damage_current
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call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)
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do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
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cell = cell + 1
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call damage_nonlocal_putNonLocalDamage(damage_current(i,j,k),1,cell)
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enddo; enddo; enddo
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else
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cell = 0
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call SNESGetDM(damage_snes,dm_local,ierr); CHKERRQ(ierr)
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call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
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x_scal(xstart:xend,ystart:yend,zstart:zend) = damage_current
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call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)
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do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
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cell = cell + 1
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call damage_nonlocal_putNonLocalDamage(damage_current(i,j,k),1,cell)
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enddo; enddo; enddo
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else
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!--------------------------------------------------------------------------------------------------
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! update rate and forward last inc
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damage_lastInc = damage_current
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cell = 0
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D_ref = 0.0_pReal
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mobility_ref = 0.0_pReal
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do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
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cell = cell + 1
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D_ref = D_ref + damage_nonlocal_getDiffusion33(1,cell)
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mobility_ref = mobility_ref + damage_nonlocal_getMobility(1,cell)
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enddo; enddo; enddo
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D_ref = D_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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mobility_ref = mobility_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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endif
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damage_lastInc = damage_current
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cell = 0
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D_ref = 0.0_pReal
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mobility_ref = 0.0_pReal
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do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
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cell = cell + 1
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D_ref = D_ref + damage_nonlocal_getDiffusion33(1,cell)
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mobility_ref = mobility_ref + damage_nonlocal_getMobility(1,cell)
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enddo; enddo; enddo
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D_ref = D_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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mobility_ref = mobility_ref*wgt
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call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
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endif
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end subroutine grid_damage_spectral_forward
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@ -283,84 +280,84 @@ end subroutine grid_damage_spectral_forward
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!> @brief forms the spectral damage residual vector
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!--------------------------------------------------------------------------------------------------
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subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
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use numerics, only: &
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residualStiffness
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use mesh, only: &
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grid, &
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grid3
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use math, only: &
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math_mul33x3
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use spectral_utilities, only: &
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scalarField_real, &
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vectorField_real, &
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utilities_FFTvectorForward, &
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utilities_FFTvectorBackward, &
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utilities_FFTscalarForward, &
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utilities_FFTscalarBackward, &
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utilities_fourierGreenConvolution, &
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utilities_fourierScalarGradient, &
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utilities_fourierVectorDivergence
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use damage_nonlocal, only: &
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damage_nonlocal_getSourceAndItsTangent,&
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damage_nonlocal_getDiffusion33, &
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damage_nonlocal_getMobility
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implicit none
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DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
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in
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PetscScalar, dimension( &
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XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
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x_scal
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PetscScalar, dimension( &
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X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
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f_scal
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PetscObject :: dummy
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PetscErrorCode :: ierr
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integer :: i, j, k, cell
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real(pReal) :: phiDot, dPhiDot_dPhi, mobility
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damage_current = x_scal
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use numerics, only: &
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residualStiffness
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use mesh, only: &
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grid, &
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grid3
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use math, only: &
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math_mul33x3
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use spectral_utilities, only: &
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scalarField_real, &
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vectorField_real, &
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utilities_FFTvectorForward, &
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utilities_FFTvectorBackward, &
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utilities_FFTscalarForward, &
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utilities_FFTscalarBackward, &
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utilities_fourierGreenConvolution, &
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utilities_fourierScalarGradient, &
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utilities_fourierVectorDivergence
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use damage_nonlocal, only: &
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damage_nonlocal_getSourceAndItsTangent,&
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damage_nonlocal_getDiffusion33, &
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damage_nonlocal_getMobility
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implicit none
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DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
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in
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PetscScalar, dimension( &
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XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
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x_scal
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PetscScalar, dimension( &
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X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
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f_scal
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PetscObject :: dummy
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PetscErrorCode :: ierr
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integer :: i, j, k, cell
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real(pReal) :: phiDot, dPhiDot_dPhi, mobility
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damage_current = x_scal
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!--------------------------------------------------------------------------------------------------
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! evaluate polarization field
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scalarField_real = 0.0_pReal
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scalarField_real(1:grid(1),1:grid(2),1:grid3) = damage_current
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call utilities_FFTscalarForward()
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call utilities_fourierScalarGradient() !< calculate gradient of damage field
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call utilities_FFTvectorBackward()
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cell = 0
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do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
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cell = cell + 1
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vectorField_real(1:3,i,j,k) = math_mul33x3(damage_nonlocal_getDiffusion33(1,cell) - D_ref, &
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vectorField_real(1:3,i,j,k))
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enddo; enddo; enddo
|
||||
call utilities_FFTvectorForward()
|
||||
call utilities_fourierVectorDivergence() !< calculate damage divergence in fourier field
|
||||
call utilities_FFTscalarBackward()
|
||||
cell = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
call damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, damage_current(i,j,k), 1, cell)
|
||||
mobility = damage_nonlocal_getMobility(1,cell)
|
||||
scalarField_real(i,j,k) = params%timeinc*scalarField_real(i,j,k) + &
|
||||
params%timeinc*phiDot + &
|
||||
mobility*damage_lastInc(i,j,k) - &
|
||||
mobility*damage_current(i,j,k) + &
|
||||
mobility_ref*damage_current(i,j,k)
|
||||
enddo; enddo; enddo
|
||||
scalarField_real = 0.0_pReal
|
||||
scalarField_real(1:grid(1),1:grid(2),1:grid3) = damage_current
|
||||
call utilities_FFTscalarForward
|
||||
call utilities_fourierScalarGradient !< calculate gradient of damage field
|
||||
call utilities_FFTvectorBackward
|
||||
cell = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
vectorField_real(1:3,i,j,k) = math_mul33x3(damage_nonlocal_getDiffusion33(1,cell) - D_ref, &
|
||||
vectorField_real(1:3,i,j,k))
|
||||
enddo; enddo; enddo
|
||||
call utilities_FFTvectorForward
|
||||
call utilities_fourierVectorDivergence !< calculate damage divergence in fourier field
|
||||
call utilities_FFTscalarBackward
|
||||
cell = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
call damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, damage_current(i,j,k), 1, cell)
|
||||
mobility = damage_nonlocal_getMobility(1,cell)
|
||||
scalarField_real(i,j,k) = params%timeinc*scalarField_real(i,j,k) + &
|
||||
params%timeinc*phiDot + &
|
||||
mobility*damage_lastInc(i,j,k) - &
|
||||
mobility*damage_current(i,j,k) + &
|
||||
mobility_ref*damage_current(i,j,k)
|
||||
enddo; enddo; enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! convolution of damage field with green operator
|
||||
call utilities_FFTscalarForward()
|
||||
call utilities_fourierGreenConvolution(D_ref, mobility_ref, params%timeinc)
|
||||
call utilities_FFTscalarBackward()
|
||||
where(scalarField_real(1:grid(1),1:grid(2),1:grid3) > damage_lastInc) &
|
||||
scalarField_real(1:grid(1),1:grid(2),1:grid3) = damage_lastInc
|
||||
where(scalarField_real(1:grid(1),1:grid(2),1:grid3) < residualStiffness) &
|
||||
scalarField_real(1:grid(1),1:grid(2),1:grid3) = residualStiffness
|
||||
call utilities_FFTscalarForward
|
||||
call utilities_fourierGreenConvolution(D_ref, mobility_ref, params%timeinc)
|
||||
call utilities_FFTscalarBackward
|
||||
where(scalarField_real(1:grid(1),1:grid(2),1:grid3) > damage_lastInc) &
|
||||
scalarField_real(1:grid(1),1:grid(2),1:grid3) = damage_lastInc
|
||||
where(scalarField_real(1:grid(1),1:grid(2),1:grid3) < residualStiffness) &
|
||||
scalarField_real(1:grid(1),1:grid(2),1:grid3) = residualStiffness
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
f_scal = scalarField_real(1:grid(1),1:grid(2),1:grid3) - damage_current
|
||||
f_scal = scalarField_real(1:grid(1),1:grid(2),1:grid3) - damage_current
|
||||
|
||||
end subroutine formResidual
|
||||
|
||||
|
|
|
|||
|
|
@ -7,65 +7,64 @@
|
|||
module grid_mech_spectral_basic
|
||||
#include <petsc/finclude/petscsnes.h>
|
||||
#include <petsc/finclude/petscdmda.h>
|
||||
use PETScdmda
|
||||
use PETScsnes
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal
|
||||
use math, only: &
|
||||
math_I3
|
||||
use spectral_utilities, only: &
|
||||
tSolutionState, &
|
||||
tSolutionParams
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
character (len=*), parameter, public :: &
|
||||
GRID_MECH_SPECTRAL_BASIC_LABEL = 'basic'
|
||||
use PETScdmda
|
||||
use PETScsnes
|
||||
use prec, only: &
|
||||
pReal
|
||||
use math, only: &
|
||||
math_I3
|
||||
use spectral_utilities, only: &
|
||||
tSolutionState, &
|
||||
tSolutionParams
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
character (len=*), parameter, public :: &
|
||||
GRID_MECH_SPECTRAL_BASIC_LABEL = 'basic'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! derived types
|
||||
type(tSolutionParams), private :: params
|
||||
type(tSolutionParams), private :: params
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc data
|
||||
DM, private :: da
|
||||
SNES, private :: snes
|
||||
Vec, private :: solution_vec
|
||||
DM, private :: da
|
||||
SNES, private :: snes
|
||||
Vec, private :: solution_vec
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! common pointwise data
|
||||
real(pReal), private, dimension(:,:,:,:,:), allocatable :: F_lastInc, Fdot
|
||||
real(pReal), private, dimension(:,:,:,:,:), allocatable :: F_lastInc, Fdot
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress, stiffness and compliance average etc.
|
||||
real(pReal), private, dimension(3,3) :: &
|
||||
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
|
||||
|
||||
character(len=1024), private :: incInfo !< time and increment information
|
||||
|
||||
real(pReal), private, dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||
|
||||
real(pReal), private :: &
|
||||
err_BC, & !< deviation from stress BC
|
||||
err_div !< RMS of div of P
|
||||
|
||||
integer(pInt), private :: &
|
||||
totalIter = 0_pInt !< total iteration in current increment
|
||||
|
||||
public :: &
|
||||
grid_mech_spectral_basic_init, &
|
||||
grid_mech_spectral_basic_solution, &
|
||||
grid_mech_spectral_basic_forward
|
||||
real(pReal), private, dimension(3,3) :: &
|
||||
F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient
|
||||
F_aim = math_I3, & !< current prescribed deformation gradient
|
||||
F_aim_lastInc = math_I3, & !< previous average deformation gradient
|
||||
P_av = 0.0_pReal !< average 1st Piola--Kirchhoff stress
|
||||
|
||||
character(len=1024), private :: incInfo !< time and increment information
|
||||
|
||||
real(pReal), private, dimension(3,3,3,3) :: &
|
||||
C_volAvg = 0.0_pReal, & !< current volume average stiffness
|
||||
C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness
|
||||
C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness
|
||||
C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness
|
||||
S = 0.0_pReal !< current compliance (filled up with zeros)
|
||||
|
||||
real(pReal), private :: &
|
||||
err_BC, & !< deviation from stress BC
|
||||
err_div !< RMS of div of P
|
||||
|
||||
integer, private :: &
|
||||
totalIter = 0 !< total iteration in current increment
|
||||
|
||||
public :: &
|
||||
grid_mech_spectral_basic_init, &
|
||||
grid_mech_spectral_basic_solution, &
|
||||
grid_mech_spectral_basic_forward
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -73,145 +72,145 @@ contains
|
|||
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_mech_spectral_basic_init
|
||||
use IO, only: &
|
||||
IO_intOut, &
|
||||
IO_error, &
|
||||
IO_open_jobFile_binary
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_spectralRestart
|
||||
use FEsolving, only: &
|
||||
restartInc
|
||||
use numerics, only: &
|
||||
worldrank, &
|
||||
worldsize, &
|
||||
petsc_options
|
||||
use homogenization, only: &
|
||||
materialpoint_F0
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName
|
||||
use spectral_utilities, only: &
|
||||
utilities_constitutiveResponse, &
|
||||
utilities_updateGamma, &
|
||||
utilities_updateIPcoords, &
|
||||
wgt
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use math, only: &
|
||||
math_invSym3333
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
|
||||
real(pReal), dimension(3,3) :: &
|
||||
temp33_Real = 0.0_pReal
|
||||
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: F
|
||||
PetscInt, dimension(worldsize) :: localK
|
||||
integer :: fileUnit
|
||||
character(len=1024) :: rankStr
|
||||
|
||||
write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'
|
||||
|
||||
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
|
||||
|
||||
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
use IO, only: &
|
||||
IO_intOut, &
|
||||
IO_error, &
|
||||
IO_open_jobFile_binary
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_spectralRestart
|
||||
use FEsolving, only: &
|
||||
restartInc
|
||||
use numerics, only: &
|
||||
worldrank, &
|
||||
worldsize, &
|
||||
petsc_options
|
||||
use homogenization, only: &
|
||||
materialpoint_F0
|
||||
use DAMASK_interface, only: &
|
||||
getSolverJobName
|
||||
use spectral_utilities, only: &
|
||||
utilities_constitutiveResponse, &
|
||||
utilities_updateGamma, &
|
||||
utilities_updateIPcoords, &
|
||||
wgt
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use math, only: &
|
||||
math_invSym3333
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
|
||||
real(pReal), dimension(3,3) :: &
|
||||
temp33_Real = 0.0_pReal
|
||||
|
||||
PetscErrorCode :: ierr
|
||||
PetscScalar, pointer, dimension(:,:,:,:) :: F
|
||||
PetscInt, dimension(worldsize) :: localK
|
||||
integer :: fileUnit
|
||||
character(len=1024) :: rankStr
|
||||
|
||||
write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'
|
||||
|
||||
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
|
||||
|
||||
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set default and user defined options for PETSc
|
||||
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type ngmres',ierr)
|
||||
CHKERRQ(ierr)
|
||||
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_options),ierr)
|
||||
CHKERRQ(ierr)
|
||||
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type ngmres',ierr)
|
||||
CHKERRQ(ierr)
|
||||
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_options),ierr)
|
||||
CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate global fields
|
||||
allocate (F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
allocate (Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
allocate (F_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
allocate (Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! initialize solver specific parts of PETSc
|
||||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
|
||||
localK = 0
|
||||
localK(worldrank+1) = grid3
|
||||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
call DMDACreate3d(PETSC_COMM_WORLD, &
|
||||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
|
||||
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
|
||||
grid(1),grid(2),grid(3), & ! global grid
|
||||
1 , 1, worldsize, &
|
||||
9, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
|
||||
[grid(1)],[grid(2)],localK, & ! local grid
|
||||
da,ierr) ! handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
|
||||
call DMsetUp(da,ierr); CHKERRQ(ierr)
|
||||
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,grid_mech_spectral_basic_formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
call SNESsetConvergenceTest(snes,grid_mech_spectral_basic_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
||||
CHKERRQ(ierr)
|
||||
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||||
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
|
||||
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
|
||||
localK = 0
|
||||
localK(worldrank+1) = grid3
|
||||
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
call DMDACreate3d(PETSC_COMM_WORLD, &
|
||||
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary
|
||||
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
|
||||
grid(1),grid(2),grid(3), & ! global grid
|
||||
1 , 1, worldsize, &
|
||||
9, 0, & ! #dof (F tensor), ghost boundary width (domain overlap)
|
||||
[grid(1)],[grid(2)],localK, & ! local grid
|
||||
da,ierr) ! handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
|
||||
call DMsetUp(da,ierr); CHKERRQ(ierr)
|
||||
call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
||||
call DMDASNESsetFunctionLocal(da,INSERT_VALUES,grid_mech_spectral_basic_formResidual,PETSC_NULL_SNES,ierr)! residual vector of same shape as solution vector
|
||||
CHKERRQ(ierr)
|
||||
call SNESsetConvergenceTest(snes,grid_mech_spectral_basic_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr)! specify custom convergence check function "_converged"
|
||||
CHKERRQ(ierr)
|
||||
call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional CLI arguments
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! init fields
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
|
||||
|
||||
restart: if (restartInc > 0_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
||||
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||
'reading values of increment ', restartInc, ' from file'
|
||||
flush(6)
|
||||
endif
|
||||
|
||||
fileUnit = IO_open_jobFile_binary('F_aimDot')
|
||||
read(fileUnit) F_aimDot; close(fileUnit)
|
||||
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
|
||||
fileUnit = IO_open_jobFile_binary('F'//trim(rankStr))
|
||||
read(fileUnit) F; close (fileUnit)
|
||||
fileUnit = IO_open_jobFile_binary('F_lastInc'//trim(rankStr))
|
||||
read(fileUnit) F_lastInc; close (fileUnit)
|
||||
|
||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||
call MPI_Allreduce(MPI_IN_PLACE,F_aim,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='F_aim')
|
||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||
call MPI_Allreduce(MPI_IN_PLACE,F_aim_lastInc,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='F_aim_lastInc')
|
||||
elseif (restartInc == 0_pInt) then restart
|
||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||
endif restart
|
||||
|
||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||
reshape(F,shape(F_lastInc)), & ! target F
|
||||
0.0_pReal, & ! time increment
|
||||
math_I3) ! no rotation of boundary condition
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
|
||||
|
||||
restart: if (restartInc > 0) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then
|
||||
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||
'reading values of increment ', restartInc, ' from file'
|
||||
flush(6)
|
||||
endif
|
||||
|
||||
fileUnit = IO_open_jobFile_binary('F_aimDot')
|
||||
read(fileUnit) F_aimDot; close(fileUnit)
|
||||
|
||||
write(rankStr,'(a1,i0)')'_',worldrank
|
||||
|
||||
fileUnit = IO_open_jobFile_binary('F'//trim(rankStr))
|
||||
read(fileUnit) F; close (fileUnit)
|
||||
fileUnit = IO_open_jobFile_binary('F_lastInc'//trim(rankStr))
|
||||
read(fileUnit) F_lastInc; close (fileUnit)
|
||||
|
||||
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
|
||||
call MPI_Allreduce(MPI_IN_PLACE,F_aim,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
if(ierr /=0) call IO_error(894, ext_msg='F_aim')
|
||||
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
|
||||
call MPI_Allreduce(MPI_IN_PLACE,F_aim_lastInc,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
if(ierr /=0) call IO_error(894, ext_msg='F_aim_lastInc')
|
||||
elseif (restartInc == 0) then restart
|
||||
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
|
||||
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
|
||||
endif restart
|
||||
|
||||
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
|
||||
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
|
||||
call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2
|
||||
reshape(F,shape(F_lastInc)), & ! target F
|
||||
0.0_pReal, & ! time increment
|
||||
math_I3) ! no rotation of boundary condition
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! write data back to PETSc
|
||||
! QUESTION: why not writing back right after reading (l.189)?
|
||||
|
||||
restartRead: if (restartInc > 0_pInt) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) &
|
||||
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||
'reading more values of increment ', restartInc, ' from file'
|
||||
flush(6)
|
||||
fileUnit = IO_open_jobFile_binary('C_volAvg')
|
||||
read(fileUnit) C_volAvg; close(fileUnit)
|
||||
fileUnit = IO_open_jobFile_binary('C_volAvgLastInv')
|
||||
read(fileUnit) C_volAvgLastInc; close(fileUnit)
|
||||
fileUnit = IO_open_jobFile_binary('C_ref')
|
||||
read(fileUnit) C_minMaxAvg; close(fileUnit)
|
||||
endif restartRead
|
||||
|
||||
restartRead: if (restartInc > 0) then
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) &
|
||||
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') &
|
||||
'reading more values of increment ', restartInc, ' from file'
|
||||
flush(6)
|
||||
fileUnit = IO_open_jobFile_binary('C_volAvg')
|
||||
read(fileUnit) C_volAvg; close(fileUnit)
|
||||
fileUnit = IO_open_jobFile_binary('C_volAvgLastInv')
|
||||
read(fileUnit) C_volAvgLastInc; close(fileUnit)
|
||||
fileUnit = IO_open_jobFile_binary('C_ref')
|
||||
read(fileUnit) C_minMaxAvg; close(fileUnit)
|
||||
endif restartRead
|
||||
|
||||
call Utilities_updateGamma(C_minMaxAvg,.true.)
|
||||
|
||||
|
|
@ -222,63 +221,63 @@ end subroutine grid_mech_spectral_basic_init
|
|||
!> @brief solution for the Basic scheme with internal iterations
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function grid_mech_spectral_basic_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) result(solution)
|
||||
use numerics, only: &
|
||||
update_gamma
|
||||
use spectral_utilities, only: &
|
||||
tBoundaryCondition, &
|
||||
utilities_maskedCompliance, &
|
||||
utilities_updateGamma
|
||||
use FEsolving, only: &
|
||||
restartWrite, &
|
||||
terminallyIll
|
||||
|
||||
implicit none
|
||||
use numerics, only: &
|
||||
update_gamma
|
||||
use spectral_utilities, only: &
|
||||
tBoundaryCondition, &
|
||||
utilities_maskedCompliance, &
|
||||
utilities_updateGamma
|
||||
use FEsolving, only: &
|
||||
restartWrite, &
|
||||
terminallyIll
|
||||
|
||||
implicit none
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! input data for solution
|
||||
character(len=*), intent(in) :: &
|
||||
incInfoIn
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc, & !< time increment of current solution
|
||||
timeinc_old !< time increment of last successful increment
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
stress_BC
|
||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||
type(tSolutionState) :: &
|
||||
solution
|
||||
character(len=*), intent(in) :: &
|
||||
incInfoIn
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc, & !< time increment of current solution
|
||||
timeinc_old !< time increment of last successful increment
|
||||
type(tBoundaryCondition), intent(in) :: &
|
||||
stress_BC
|
||||
real(pReal), dimension(3,3), intent(in) :: rotation_BC
|
||||
type(tSolutionState) :: &
|
||||
solution
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc Data
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
incInfo = incInfoIn
|
||||
PetscErrorCode :: ierr
|
||||
SNESConvergedReason :: reason
|
||||
|
||||
incInfo = incInfoIn
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update stiffness (and gamma operator)
|
||||
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
|
||||
if (update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
|
||||
S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg)
|
||||
if (update_gamma) call Utilities_updateGamma(C_minMaxAvg,restartWrite)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! set module wide available data
|
||||
params%stress_mask = stress_BC%maskFloat
|
||||
params%stress_BC = stress_BC%values
|
||||
params%rotation_BC = rotation_BC
|
||||
params%timeinc = timeinc
|
||||
params%timeincOld = timeinc_old
|
||||
params%stress_mask = stress_BC%maskFloat
|
||||
params%stress_BC = stress_BC%values
|
||||
params%rotation_BC = rotation_BC
|
||||
params%timeinc = timeinc
|
||||
params%timeincOld = timeinc_old
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! solve BVP
|
||||
call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
|
||||
call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check convergence
|
||||
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
solution%converged = reason > 0
|
||||
solution%iterationsNeeded = totalIter
|
||||
solution%termIll = terminallyIll
|
||||
terminallyIll = .false.
|
||||
call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr)
|
||||
|
||||
solution%converged = reason > 0
|
||||
solution%iterationsNeeded = totalIter
|
||||
solution%termIll = terminallyIll
|
||||
terminallyIll = .false.
|
||||
|
||||
|
||||
end function grid_mech_spectral_basic_solution
|
||||
|
|
@ -287,93 +286,90 @@ end function grid_mech_spectral_basic_solution
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forms the basic residual vector
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_mech_spectral_basic_formResidual(in, & ! DMDA info (needs to be named "in" for XRANGE, etc. macros to work)
|
||||
F, & ! defgrad field on grid
|
||||
residuum, & ! residuum field on grid
|
||||
dummy, &
|
||||
ierr)
|
||||
use numerics, only: &
|
||||
itmax, &
|
||||
itmin
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use math, only: &
|
||||
math_rotate_backward33, &
|
||||
math_mul3333xx33
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_spectralRotation
|
||||
use spectral_utilities, only: &
|
||||
tensorField_real, &
|
||||
utilities_FFTtensorForward, &
|
||||
utilities_fourierGammaConvolution, &
|
||||
utilities_FFTtensorBackward, &
|
||||
utilities_constitutiveResponse, &
|
||||
utilities_divergenceRMS
|
||||
use IO, only: &
|
||||
IO_intOut
|
||||
use FEsolving, only: &
|
||||
terminallyIll
|
||||
subroutine grid_mech_spectral_basic_formResidual(in, F, &
|
||||
residuum, dummy, ierr)
|
||||
use numerics, only: &
|
||||
itmax, &
|
||||
itmin
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use math, only: &
|
||||
math_rotate_backward33, &
|
||||
math_mul3333xx33
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_spectral, &
|
||||
debug_spectralRotation
|
||||
use spectral_utilities, only: &
|
||||
tensorField_real, &
|
||||
utilities_FFTtensorForward, &
|
||||
utilities_fourierGammaConvolution, &
|
||||
utilities_FFTtensorBackward, &
|
||||
utilities_constitutiveResponse, &
|
||||
utilities_divergenceRMS
|
||||
use IO, only: &
|
||||
IO_intOut
|
||||
use FEsolving, only: &
|
||||
terminallyIll
|
||||
|
||||
implicit none
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in
|
||||
PetscScalar, &
|
||||
dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: F
|
||||
PetscScalar, &
|
||||
dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: residuum
|
||||
real(pReal), dimension(3,3) :: &
|
||||
deltaF_aim
|
||||
PetscInt :: &
|
||||
PETScIter, &
|
||||
nfuncs
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
implicit none
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in !< DMDA info (needs to be named "in" for macros like XRANGE to work)
|
||||
PetscScalar, dimension(3,3,XG_RANGE,YG_RANGE,ZG_RANGE), &
|
||||
intent(in) :: F !< deformation gradient field
|
||||
PetscScalar, dimension(3,3,X_RANGE,Y_RANGE,Z_RANGE), &
|
||||
intent(out) :: residuum !< residuum field
|
||||
real(pReal), dimension(3,3) :: &
|
||||
deltaF_aim
|
||||
PetscInt :: &
|
||||
PETScIter, &
|
||||
nfuncs
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
||||
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
||||
|
||||
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment
|
||||
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! begin of new iteration
|
||||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1_pInt
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
flush(6)
|
||||
endif newIteration
|
||||
newIteration: if (totalIter <= PETScIter) then
|
||||
totalIter = totalIter + 1
|
||||
write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') &
|
||||
trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(math_rotate_backward33(F_aim,params%rotation_BC))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
flush(6)
|
||||
endif newIteration
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate constitutive response
|
||||
call Utilities_constitutiveResponse(residuum, & ! "residuum" gets field of first PK stress (to save memory)
|
||||
P_av,C_volAvg,C_minMaxAvg, &
|
||||
F,params%timeinc,params%rotation_BC)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||
call Utilities_constitutiveResponse(residuum, & ! "residuum" gets field of first PK stress (to save memory)
|
||||
P_av,C_volAvg,C_minMaxAvg, &
|
||||
F,params%timeinc,params%rotation_BC)
|
||||
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! stress BC handling
|
||||
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
|
||||
F_aim = F_aim - deltaF_aim
|
||||
err_BC = maxval(abs(params%stress_mask * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc
|
||||
deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC)
|
||||
F_aim = F_aim - deltaF_aim
|
||||
err_BC = maxval(abs(params%stress_mask * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! updated deformation gradient using fix point algorithm of basic scheme
|
||||
tensorField_real = 0.0_pReal
|
||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform
|
||||
call utilities_FFTtensorForward() ! FFT forward of global "tensorField_real"
|
||||
err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use
|
||||
call utilities_fourierGammaConvolution(math_rotate_backward33(deltaF_aim,params%rotation_BC)) ! convolution of Gamma and tensorField_fourier, with arg
|
||||
call utilities_FFTtensorBackward() ! FFT backward of global tensorField_fourier
|
||||
tensorField_real = 0.0_pReal
|
||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform
|
||||
call utilities_FFTtensorForward ! FFT forward of global "tensorField_real"
|
||||
err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use
|
||||
call utilities_fourierGammaConvolution(math_rotate_backward33(deltaF_aim,params%rotation_BC)) ! convolution of Gamma and tensorField_fourier, with arg
|
||||
call utilities_FFTtensorBackward ! FFT backward of global tensorField_fourier
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
residuum = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too
|
||||
residuum = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too
|
||||
|
||||
end subroutine grid_mech_spectral_basic_formResidual
|
||||
|
||||
|
|
@ -382,53 +378,53 @@ end subroutine grid_mech_spectral_basic_formResidual
|
|||
!> @brief convergence check
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_mech_spectral_basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
|
||||
use numerics, only: &
|
||||
itmax, &
|
||||
itmin, &
|
||||
err_div_tolRel, &
|
||||
err_div_tolAbs, &
|
||||
err_stress_tolRel, &
|
||||
err_stress_tolAbs
|
||||
use FEsolving, only: &
|
||||
terminallyIll
|
||||
use numerics, only: &
|
||||
itmax, &
|
||||
itmin, &
|
||||
err_div_tolRel, &
|
||||
err_div_tolAbs, &
|
||||
err_stress_tolRel, &
|
||||
err_stress_tolAbs
|
||||
use FEsolving, only: &
|
||||
terminallyIll
|
||||
|
||||
implicit none
|
||||
SNES :: snes_local
|
||||
PetscInt :: PETScIter
|
||||
PetscReal :: &
|
||||
xnorm, & ! not used
|
||||
snorm, & ! not used
|
||||
fnorm ! not used
|
||||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
real(pReal) :: &
|
||||
divTol, &
|
||||
BCTol
|
||||
implicit none
|
||||
SNES :: snes_local
|
||||
PetscInt :: PETScIter
|
||||
PetscReal :: &
|
||||
xnorm, & ! not used
|
||||
snorm, & ! not used
|
||||
fnorm ! not used
|
||||
SNESConvergedReason :: reason
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
real(pReal) :: &
|
||||
divTol, &
|
||||
BCTol
|
||||
|
||||
divTol = max(maxval(abs(P_av))*err_div_tolRel ,err_div_tolAbs)
|
||||
BCTol = max(maxval(abs(P_av))*err_stress_tolRel,err_stress_tolAbs)
|
||||
divTol = max(maxval(abs(P_av))*err_div_tolRel ,err_div_tolAbs)
|
||||
BCTol = max(maxval(abs(P_av))*err_stress_tolRel,err_stress_tolAbs)
|
||||
|
||||
converged: if ((totalIter >= itmin .and. &
|
||||
all([ err_div/divTol, &
|
||||
err_BC /BCTol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= itmax) then converged
|
||||
reason = -1
|
||||
else converged
|
||||
reason = 0
|
||||
endif converged
|
||||
converged: if ((totalIter >= itmin .and. &
|
||||
all([ err_div/divTol, &
|
||||
err_BC /BCTol ] < 1.0_pReal)) &
|
||||
.or. terminallyIll) then
|
||||
reason = 1
|
||||
elseif (totalIter >= itmax) then converged
|
||||
reason = -1
|
||||
else converged
|
||||
reason = 0
|
||||
endif converged
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report
|
||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
write(6,'(1/,a)') ' ... reporting .............................................................'
|
||||
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', &
|
||||
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
|
||||
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', &
|
||||
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
|
||||
write(6,'(/,a)') ' ==========================================================================='
|
||||
flush(6)
|
||||
|
||||
end subroutine grid_mech_spectral_basic_converged
|
||||
|
||||
|
|
@ -507,7 +503,7 @@ subroutine grid_mech_spectral_basic_forward(guess,timeinc,timeinc_old,loadCaseTi
|
|||
write(fileUnit) F_lastInc; close (fileUnit)
|
||||
endif
|
||||
|
||||
call CPFEM_age() ! age state and kinematics
|
||||
call CPFEM_age ! age state and kinematics
|
||||
call utilities_updateIPcoords(F)
|
||||
|
||||
C_volAvgLastInc = C_volAvg
|
||||
|
|
|
|||
|
|
@ -1,4 +1,5 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @author Shaokang Zhang, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!> @brief Spectral solver for thermal conduction
|
||||
|
|
@ -6,43 +7,42 @@
|
|||
module grid_thermal_spectral
|
||||
#include <petsc/finclude/petscsnes.h>
|
||||
#include <petsc/finclude/petscdmda.h>
|
||||
use PETScdmda
|
||||
use PETScsnes
|
||||
use prec, only: &
|
||||
pReal
|
||||
use spectral_utilities, only: &
|
||||
tSolutionState, &
|
||||
tSolutionParams
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
use PETScdmda
|
||||
use PETScsnes
|
||||
use prec, only: &
|
||||
pReal
|
||||
use spectral_utilities, only: &
|
||||
tSolutionState, &
|
||||
tSolutionParams
|
||||
|
||||
implicit none
|
||||
private
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! derived types
|
||||
type(tSolutionParams), private :: params
|
||||
type(tSolutionParams), private :: params
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! PETSc data
|
||||
SNES, private :: thermal_snes
|
||||
Vec, private :: solution_vec
|
||||
PetscInt, private :: xstart, xend, ystart, yend, zstart, zend
|
||||
real(pReal), private, dimension(:,:,:), allocatable :: &
|
||||
temperature_current, & !< field of current temperature
|
||||
temperature_lastInc, & !< field of previous temperature
|
||||
temperature_stagInc !< field of staggered temperature
|
||||
SNES, private :: thermal_snes
|
||||
Vec, private :: solution_vec
|
||||
PetscInt, private :: xstart, xend, ystart, yend, zstart, zend
|
||||
real(pReal), private, dimension(:,:,:), allocatable :: &
|
||||
temperature_current, & !< field of current temperature
|
||||
temperature_lastInc, & !< field of previous temperature
|
||||
temperature_stagInc !< field of staggered temperature
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reference diffusion tensor, mobility etc.
|
||||
integer, private :: totalIter = 0 !< total iteration in current increment
|
||||
real(pReal), dimension(3,3), private :: D_ref
|
||||
real(pReal), private :: mobility_ref
|
||||
|
||||
public :: &
|
||||
grid_thermal_spectral_init, &
|
||||
grid_thermal_spectral_solution, &
|
||||
grid_thermal_spectral_forward
|
||||
private :: &
|
||||
formResidual
|
||||
integer, private :: totalIter = 0 !< total iteration in current increment
|
||||
real(pReal), dimension(3,3), private :: D_ref
|
||||
real(pReal), private :: mobility_ref
|
||||
|
||||
public :: &
|
||||
grid_thermal_spectral_init, &
|
||||
grid_thermal_spectral_solution, &
|
||||
grid_thermal_spectral_forward
|
||||
private :: &
|
||||
formResidual
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -70,7 +70,7 @@ subroutine grid_thermal_spectral_init
|
|||
petsc_options
|
||||
|
||||
implicit none
|
||||
integer, dimension(worldsize) :: localK
|
||||
PetscInt, dimension(worldsize) :: localK
|
||||
integer :: i, j, k, cell
|
||||
DM :: thermal_grid
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
|
|
@ -100,9 +100,9 @@ subroutine grid_thermal_spectral_init
|
|||
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
|
||||
grid(1),grid(2),grid(3), & ! global grid
|
||||
1, 1, worldsize, &
|
||||
1, 0, & !< #dof (thermal phase field), ghost boundary width (domain overlap)
|
||||
[grid(1)],[grid(2)],localK, & !< local grid
|
||||
thermal_grid,ierr) !< handle, error
|
||||
1, 0, & ! #dof (thermal phase field), ghost boundary width (domain overlap)
|
||||
[grid(1)],[grid(2)],localK, & ! local grid
|
||||
thermal_grid,ierr) ! handle, error
|
||||
CHKERRQ(ierr)
|
||||
call SNESSetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
|
||||
call DMsetFromOptions(thermal_grid,ierr); CHKERRQ(ierr)
|
||||
|
|
@ -123,7 +123,7 @@ subroutine grid_thermal_spectral_init
|
|||
allocate(temperature_lastInc(grid(1),grid(2),grid3), source=0.0_pReal)
|
||||
allocate(temperature_stagInc(grid(1),grid(2),grid3), source=0.0_pReal)
|
||||
cell = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
temperature_current(i,j,k) = temperature(material_homogenizationAt(cell))% &
|
||||
p(thermalMapping(material_homogenizationAt(cell))%p(1,cell))
|
||||
|
|
@ -151,6 +151,7 @@ subroutine grid_thermal_spectral_init
|
|||
call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
end subroutine grid_thermal_spectral_init
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief solution for the spectral thermal scheme with internal iterations
|
||||
|
|
@ -167,7 +168,6 @@ function grid_thermal_spectral_solution(timeinc,timeinc_old,loadCaseTime) result
|
|||
thermal_conduction_putTemperatureAndItsRate
|
||||
|
||||
implicit none
|
||||
|
||||
real(pReal), intent(in) :: &
|
||||
timeinc, & !< increment in time for current solution
|
||||
timeinc_old, & !< increment in time of last increment
|
||||
|
|
@ -229,61 +229,61 @@ end function grid_thermal_spectral_solution
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief forwarding routine
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine grid_thermal_spectral_forward()
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use spectral_utilities, only: &
|
||||
cutBack, &
|
||||
wgt
|
||||
use thermal_conduction, only: &
|
||||
thermal_conduction_putTemperatureAndItsRate, &
|
||||
thermal_conduction_getConductivity33, &
|
||||
thermal_conduction_getMassDensity, &
|
||||
thermal_conduction_getSpecificHeat
|
||||
|
||||
implicit none
|
||||
integer :: i, j, k, cell
|
||||
DM :: dm_local
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
if (cutBack) then
|
||||
temperature_current = temperature_lastInc
|
||||
temperature_stagInc = temperature_lastInc
|
||||
subroutine grid_thermal_spectral_forward
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use spectral_utilities, only: &
|
||||
cutBack, &
|
||||
wgt
|
||||
use thermal_conduction, only: &
|
||||
thermal_conduction_putTemperatureAndItsRate, &
|
||||
thermal_conduction_getConductivity33, &
|
||||
thermal_conduction_getMassDensity, &
|
||||
thermal_conduction_getSpecificHeat
|
||||
|
||||
implicit none
|
||||
integer :: i, j, k, cell
|
||||
DM :: dm_local
|
||||
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
||||
PetscErrorCode :: ierr
|
||||
|
||||
if (cutBack) then
|
||||
temperature_current = temperature_lastInc
|
||||
temperature_stagInc = temperature_lastInc
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! reverting thermal field state
|
||||
cell = 0
|
||||
call SNESGetDM(thermal_snes,dm_local,ierr); CHKERRQ(ierr)
|
||||
call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
|
||||
x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
|
||||
call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
call thermal_conduction_putTemperatureAndItsRate(temperature_current(i,j,k), &
|
||||
(temperature_current(i,j,k) - &
|
||||
temperature_lastInc(i,j,k))/params%timeinc, &
|
||||
1,cell)
|
||||
enddo; enddo; enddo
|
||||
else
|
||||
cell = 0
|
||||
call SNESGetDM(thermal_snes,dm_local,ierr); CHKERRQ(ierr)
|
||||
call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
|
||||
x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
|
||||
call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
call thermal_conduction_putTemperatureAndItsRate(temperature_current(i,j,k), &
|
||||
(temperature_current(i,j,k) - &
|
||||
temperature_lastInc(i,j,k))/params%timeinc, &
|
||||
1,cell)
|
||||
enddo; enddo; enddo
|
||||
else
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! update rate and forward last inc
|
||||
temperature_lastInc = temperature_current
|
||||
cell = 0
|
||||
D_ref = 0.0_pReal
|
||||
mobility_ref = 0.0_pReal
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
D_ref = D_ref + thermal_conduction_getConductivity33(1,cell)
|
||||
mobility_ref = mobility_ref + thermal_conduction_getMassDensity(1,cell)* &
|
||||
thermal_conduction_getSpecificHeat(1,cell)
|
||||
enddo; enddo; enddo
|
||||
D_ref = D_ref*wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
mobility_ref = mobility_ref*wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
endif
|
||||
temperature_lastInc = temperature_current
|
||||
cell = 0
|
||||
D_ref = 0.0_pReal
|
||||
mobility_ref = 0.0_pReal
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
D_ref = D_ref + thermal_conduction_getConductivity33(1,cell)
|
||||
mobility_ref = mobility_ref + thermal_conduction_getMassDensity(1,cell)* &
|
||||
thermal_conduction_getSpecificHeat(1,cell)
|
||||
enddo; enddo; enddo
|
||||
D_ref = D_ref*wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,D_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
mobility_ref = mobility_ref*wgt
|
||||
call MPI_Allreduce(MPI_IN_PLACE,mobility_ref,1,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
endif
|
||||
|
||||
end subroutine grid_thermal_spectral_forward
|
||||
|
||||
|
|
@ -292,79 +292,79 @@ end subroutine grid_thermal_spectral_forward
|
|||
!> @brief forms the spectral thermal residual vector
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use math, only: &
|
||||
math_mul33x3
|
||||
use spectral_utilities, only: &
|
||||
scalarField_real, &
|
||||
vectorField_real, &
|
||||
utilities_FFTvectorForward, &
|
||||
utilities_FFTvectorBackward, &
|
||||
utilities_FFTscalarForward, &
|
||||
utilities_FFTscalarBackward, &
|
||||
utilities_fourierGreenConvolution, &
|
||||
utilities_fourierScalarGradient, &
|
||||
utilities_fourierVectorDivergence
|
||||
use thermal_conduction, only: &
|
||||
thermal_conduction_getSourceAndItsTangent, &
|
||||
thermal_conduction_getConductivity33, &
|
||||
thermal_conduction_getMassDensity, &
|
||||
thermal_conduction_getSpecificHeat
|
||||
use mesh, only: &
|
||||
grid, &
|
||||
grid3
|
||||
use math, only: &
|
||||
math_mul33x3
|
||||
use spectral_utilities, only: &
|
||||
scalarField_real, &
|
||||
vectorField_real, &
|
||||
utilities_FFTvectorForward, &
|
||||
utilities_FFTvectorBackward, &
|
||||
utilities_FFTscalarForward, &
|
||||
utilities_FFTscalarBackward, &
|
||||
utilities_fourierGreenConvolution, &
|
||||
utilities_fourierScalarGradient, &
|
||||
utilities_fourierVectorDivergence
|
||||
use thermal_conduction, only: &
|
||||
thermal_conduction_getSourceAndItsTangent, &
|
||||
thermal_conduction_getConductivity33, &
|
||||
thermal_conduction_getMassDensity, &
|
||||
thermal_conduction_getSpecificHeat
|
||||
|
||||
implicit none
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
|
||||
in
|
||||
PetscScalar, dimension( &
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
|
||||
x_scal
|
||||
PetscScalar, dimension( &
|
||||
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
|
||||
f_scal
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
integer :: i, j, k, cell
|
||||
real(pReal) :: Tdot, dTdot_dT
|
||||
|
||||
implicit none
|
||||
DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: &
|
||||
in
|
||||
PetscScalar, dimension( &
|
||||
XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: &
|
||||
x_scal
|
||||
PetscScalar, dimension( &
|
||||
X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: &
|
||||
f_scal
|
||||
PetscObject :: dummy
|
||||
PetscErrorCode :: ierr
|
||||
integer :: i, j, k, cell
|
||||
real(pReal) :: Tdot, dTdot_dT
|
||||
|
||||
temperature_current = x_scal
|
||||
temperature_current = x_scal
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! evaluate polarization field
|
||||
scalarField_real = 0.0_pReal
|
||||
scalarField_real(1:grid(1),1:grid(2),1:grid3) = temperature_current
|
||||
call utilities_FFTscalarForward()
|
||||
call utilities_fourierScalarGradient() !< calculate gradient of damage field
|
||||
call utilities_FFTvectorBackward()
|
||||
cell = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
vectorField_real(1:3,i,j,k) = math_mul33x3(thermal_conduction_getConductivity33(1,cell) - D_ref, &
|
||||
vectorField_real(1:3,i,j,k))
|
||||
enddo; enddo; enddo
|
||||
call utilities_FFTvectorForward()
|
||||
call utilities_fourierVectorDivergence() !< calculate damage divergence in fourier field
|
||||
call utilities_FFTscalarBackward()
|
||||
cell = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
call thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, temperature_current(i,j,k), 1, cell)
|
||||
scalarField_real(i,j,k) = params%timeinc*scalarField_real(i,j,k) + &
|
||||
params%timeinc*Tdot + &
|
||||
thermal_conduction_getMassDensity (1,cell)* &
|
||||
thermal_conduction_getSpecificHeat(1,cell)*(temperature_lastInc(i,j,k) - &
|
||||
temperature_current(i,j,k)) + &
|
||||
mobility_ref*temperature_current(i,j,k)
|
||||
enddo; enddo; enddo
|
||||
scalarField_real = 0.0_pReal
|
||||
scalarField_real(1:grid(1),1:grid(2),1:grid3) = temperature_current
|
||||
call utilities_FFTscalarForward
|
||||
call utilities_fourierScalarGradient !< calculate gradient of damage field
|
||||
call utilities_FFTvectorBackward
|
||||
cell = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
vectorField_real(1:3,i,j,k) = math_mul33x3(thermal_conduction_getConductivity33(1,cell) - D_ref, &
|
||||
vectorField_real(1:3,i,j,k))
|
||||
enddo; enddo; enddo
|
||||
call utilities_FFTvectorForward
|
||||
call utilities_fourierVectorDivergence !< calculate damage divergence in fourier field
|
||||
call utilities_FFTscalarBackward
|
||||
cell = 0
|
||||
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
|
||||
cell = cell + 1
|
||||
call thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, temperature_current(i,j,k), 1, cell)
|
||||
scalarField_real(i,j,k) = params%timeinc*scalarField_real(i,j,k) + &
|
||||
params%timeinc*Tdot + &
|
||||
thermal_conduction_getMassDensity (1,cell)* &
|
||||
thermal_conduction_getSpecificHeat(1,cell)*(temperature_lastInc(i,j,k) - &
|
||||
temperature_current(i,j,k)) + &
|
||||
mobility_ref*temperature_current(i,j,k)
|
||||
enddo; enddo; enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! convolution of damage field with green operator
|
||||
call utilities_FFTscalarForward()
|
||||
call utilities_fourierGreenConvolution(D_ref, mobility_ref, params%timeinc)
|
||||
call utilities_FFTscalarBackward()
|
||||
call utilities_FFTscalarForward
|
||||
call utilities_fourierGreenConvolution(D_ref, mobility_ref, params%timeinc)
|
||||
call utilities_FFTscalarBackward
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! constructing residual
|
||||
f_scal = temperature_current - scalarField_real(1:grid(1),1:grid(2),1:grid3)
|
||||
f_scal = temperature_current - scalarField_real(1:grid(1),1:grid(2),1:grid3)
|
||||
|
||||
end subroutine formResidual
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue